SCHEMBL7015343

SCHEMBL7015343

O=C(O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(N3C(=O)CCc4ccccc43)CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.77
CD74 P04233 12/20 0.77

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5532976 0.94 CTSS (0.82) CTSSCD74
SCHEMBL5531713 0.90 CTSS (0.83) CTSSCD74
SCHEMBL7019174 0.90 CTSS (0.89) CTSSCD74
SCHEMBL5534139 0.89 CTSS (0.81) CTSSCD74
SCHEMBL4715556 0.87 CTSS (1.00) CTSSCD74
SCHEMBL5538499 0.85 CTSS (0.82) CTSSCD74
SCHEMBL5532495 0.85 CTSS (0.78) CTSSCD74
SCHEMBL5531846 0.84 CTSS (0.79) CTSSCD74
SCHEMBL5533960 0.84 CTSS (1.00) CTSSCD74
SCHEMBL5528408 0.84 CTSS (0.80) CTSSCD74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO disclosed